Basic information
- CAS
1809064-98-9- Standard SMILES
COC(=O)c1ccc(OC)c(CN)c1.Cl- InChIKey
FVEOCJVPPYVOOH-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO3
- Average molar mass
- 231.67 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(aminomethyl)-4-methoxybenzoate hydrochloride
- IUPAC
- methyl 3-(aminomethyl)-4-methoxybenzoate;hydrochloride
Names & synonyms
Methyl 3-(aminomethyl)-4-methoxybenzoate hydrochloride1809064-98-9methyl3-(aminomethyl)-4-methoxybenzoatehydrochlorideSCHEMBL17077466FVEOCJVPPYVOOH-UHFFFAOYSA-NDB-386187EN300-37278220A1-79308Z5489622536
Database identifiers
- CAS
1809064-98-9- PubChem CID
- 118366175
- EC Number
- 883-128-7
Properties
Computed structural properties
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Related reactions
2 records
Compound notes
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